N-methyl-2-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]-1-phenylethanamine

C18H24N2S — CID 65414615

IUPACN-methyl-2-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]-1-phenylethanamine
SMILESCNC(Cc1csc(C2CCC(C)C2)n1)c1ccccc1
InChIInChI=1S/C18H24N2S/c1-13-8-9-15(10-13)18-20-16(12-21-18)11-17(19-2)14-6-4-3-5-7-14/h3-7,12-13,15,17,19H,8-11H2,1-2H3
InChIKeyXZRZIUPWIYVXJT-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.55
Rot. Bonds5

About N-methyl-2-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]-1-phenylethanamine

N-methyl-2-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]-1-phenylethanamine (PubChem CID 65414615) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N-methyl-2-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]-1-phenylethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]-1-phenylethanamine
PubChem CID65414615
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC NameN-methyl-2-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]-1-phenylethanamine
SMILESCNC(Cc1csc(C2CCC(C)C2)n1)c1ccccc1
InChIInChI=1S/C18H24N2S/c1-13-8-9-15(10-13)18-20-16(12-21-18)11-17(19-2)14-6-4-3-5-7-14/h3-7,12-13,15,17,19H,8-11H2,1-2H3
InChIKeyXZRZIUPWIYVXJT-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]-1-phenylethanamine?
The IUPAC name of N-methyl-2-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]-1-phenylethanamine (CID 65414615) is N-methyl-2-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]-1-phenylethanamine.
What is the SMILES notation for N-methyl-2-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]-1-phenylethanamine?
The canonical SMILES for N-methyl-2-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]-1-phenylethanamine is CNC(Cc1csc(C2CCC(C)C2)n1)c1ccccc1.
What is the InChIKey of N-methyl-2-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]-1-phenylethanamine?
The InChIKey is XZRZIUPWIYVXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-13-8-9-15(10-13)18-20-16(12-21-18)11-17(19-2)14-6-4-3-5-7-14/h3-7,12-13,15,17,19H,8-11H2,1-2H3.
What are the key properties of N-methyl-2-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]-1-phenylethanamine?
N-methyl-2-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]-1-phenylethanamine has a molecular weight of 300.47 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]-1-phenylethanamine is sourced from PubChem (CID 65414615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).